(2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid

C11H15N3O5 — CID 107831323

IUPAC(2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)Cc1ccn[nH]1)C(=O)O
InChIInChI=1S/C11H15N3O5/c15-9(6-7-4-5-12-14-7)13-8(11(18)19)2-1-3-10(16)17/h4-5,8H,1-3,6H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)/t8-/m1/s1
InChIKeyJJCZCHDVVMNZNQ-MRVPVSSYSA-N
MW269.26 g/mol
LogP-0.22
Rot. Bonds8

About (2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid

(2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid (PubChem CID 107831323) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid
PubChem CID107831323
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name(2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)Cc1ccn[nH]1)C(=O)O
InChIInChI=1S/C11H15N3O5/c15-9(6-7-4-5-12-14-7)13-8(11(18)19)2-1-3-10(16)17/h4-5,8H,1-3,6H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)/t8-/m1/s1
InChIKeyJJCZCHDVVMNZNQ-MRVPVSSYSA-N
XLogP-0.22
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-4-oxo-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoic acid
CID 107821081
2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
CID 79139200
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
6-oxo-6-(1H-pyrazol-5-ylmethylamino)hexanoic acid
CID 61286078
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 113356359
(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
CID 107831282
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-pyrazol-5-yl)acetamide
CID 107861205
3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide
CID 175345589
20-[[(1S)-1-carboxy-5-[[(1S)-1-carboxy-4-oxopentyl]amino]-5-oxopentyl]amino]-20-oxoicosanoic acid
CID 129288276
(2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid
CID 107835525
(2R)-2-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)hexanedioic acid
CID 107840195
2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]hexanedioic acid
CID 147834087

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid?
The IUPAC name of (2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid (CID 107831323) is (2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)Cc1ccn[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid?
The InChIKey is JJCZCHDVVMNZNQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N3O5/c15-9(6-7-4-5-12-14-7)13-8(11(18)19)2-1-3-10(16)17/h4-5,8H,1-3,6H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid?
(2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid has a molecular weight of 269.26 g/mol, XLogP of -0.22, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid is sourced from PubChem (CID 107831323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).